bulk:  Fe bcc 2.851
subst:  Al 3.353
v1: 2896.68763137
n1: 250
v1pa: 11.5867505255
ene0: -1069.9995
ene0pa: -4.279998
subst n: 13
ene1nm: -1068.6697
ene1nmf: 0.402802
ene2m: -1068.8976
ene2mf: 0.174902
ene3v: -1068.8976
ene3vf: 0.174902
esubf: 0.174902
V4: 2896.78335419
vintf:  11.682473339
vintfr:  1.00826140282
